2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone

C19H21ClN2O — CID 16626276

IUPAC2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone
SMILESO=C(Cc1ccccc1Cl)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H21ClN2O/c20-17-11-5-4-8-15(17)14-19(23)22-13-7-6-12-18(22)21-16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2/b21-18+
InChIKeyQMJAWWQJYCOWIS-DYTRJAOYSA-N
MW328.84 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone

2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone (PubChem CID 16626276) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone
PubChem CID16626276
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone
SMILESO=C(Cc1ccccc1Cl)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C19H21ClN2O/c20-17-11-5-4-8-15(17)14-19(23)22-13-7-6-12-18(22)21-16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2/b21-18+
InChIKeyQMJAWWQJYCOWIS-DYTRJAOYSA-N
XLogP4.26
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2-cyclohexylimino-1-pyridinyl)methanone
CID 16626260
2-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51321233
(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
CID 16626234
1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 86877064
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 55533497
(1-chloroisoquinolin-3-yl)-(2-cyclohexylimino-1-pyridinyl)methanone
CID 55668391
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
CID 16626252
N-[3-(2-cyclohexylimino-1-pyridinyl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 46696415
3-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 43042644
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
(2-cyclohexylimino-1-pyridinyl)-[2-(difluoromethoxy)phenyl]methanone
CID 16626285

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone (CID 16626276) is 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone is O=C(Cc1ccccc1Cl)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone?
The InChIKey is QMJAWWQJYCOWIS-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-11-5-4-8-15(17)14-19(23)22-13-7-6-12-18(22)21-16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2/b21-18+.
What are the key properties of 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone?
2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone has a molecular weight of 328.84 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone is sourced from PubChem (CID 16626276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).